2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline

C14H11F4NO2 — CID 172676520

IUPAC2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
SMILESCOc1ccc(-c2cc(OC(F)(F)F)ccc2N)c(F)c1
InChIInChI=1S/C14H11F4NO2/c1-20-8-2-4-10(12(15)7-8)11-6-9(3-5-13(11)19)21-14(16,17)18/h2-7H,19H2,1H3
InChIKeyOXEYNXCYPLJLFZ-UHFFFAOYSA-N
MW301.24 g/mol
LogP3.98
Rot. Bonds3

About 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline

2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline (PubChem CID 172676520) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
PubChem CID172676520
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline
SMILESCOc1ccc(-c2cc(OC(F)(F)F)ccc2N)c(F)c1
InChIInChI=1S/C14H11F4NO2/c1-20-8-2-4-10(12(15)7-8)11-6-9(3-5-13(11)19)21-14(16,17)18/h2-7H,19H2,1H3
InChIKeyOXEYNXCYPLJLFZ-UHFFFAOYSA-N
XLogP3.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline (CID 172676520) is 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline is COc1ccc(-c2cc(OC(F)(F)F)ccc2N)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline?
The InChIKey is OXEYNXCYPLJLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c1-20-8-2-4-10(12(15)7-8)11-6-9(3-5-13(11)19)21-14(16,17)18/h2-7H,19H2,1H3.
What are the key properties of 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline?
2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline has a molecular weight of 301.24 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxyphenyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 172676520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).